DFT-based study of the bulk tin mixed-halide CsSnI3-Br perovskite
Iván Ornelas−Cruz, Alejandro Trejo, Raúl Oviedo‐Roa, Fernando Salazar, E. Carvajal, Álvaro Miranda, M. Cruz‐Irisson
Topics & Concepts
HalogenPerovskite (structure)HalideTinDensity functional theoryMaterials scienceBand gapOctahedronMetalBromineCrystallographyChemical physicsChemistryComputational chemistryInorganic chemistryCrystal structureOrganic chemistryMetallurgyOptoelectronicsAlkylPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyChalcogenide Semiconductor Thin Films